HRID103797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

结构：COc1cc(Cl)ccc1C(C)(C)CC(O)(C=Nc1cccc2nc(C(N)=O)ccc12)C(F)(F)F

HCID69203799

未命名化合物

PRODUCTS

生成物

HCID20786222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b66685930f8e46fe9ff1fbdbd4568ef8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BH4-:35].[CH3:37][OH:38].[Cl:1][c:2]1[cH:3][c:4]([O:33][CH3:34])[c:5]([C:8]([CH2:9][C:10]([CH:11]=[N:12][c:13]2[c:14]3[cH:15][cH:16][c:17]([C:23](=[O:24])[NH2:25])[n:18][c:19]3[cH:20][cH:21][cH:22]2)([C:26]([F:27])([F:28])[F:29])[OH:30])([CH3:31])[CH3:32])[cH:6][cH:7]1.[Na+:36]>>[Cl:1][c:2]1[cH:3][c:4]([O:33][CH3:34])[c:5]([C:8]([CH2:9][C:10]([CH2:11][NH:12][c:13]2[c:14]3[cH:15][cH:16][c:17]([C:23](=[O:24])[NH2:25])[n:18][c:19]3[cH:20][cH:21][cH:22]2)([C:26]([F:27])([F:28])[F:29])[OH:30])([CH3:31])[CH3:32])[cH:6][cH:7]1